General Information of the Compound
| Compound ID |
CP0448307
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| Compound Name |
N-[9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]acetamide
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| Structure |
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| Formula |
C15H10ClN5O2
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| Molecular Weight |
327.731
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| Canonical SMILES |
CC(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
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| InChI |
InChI=1S/C15H10ClN5O2/c1-8(22)17-15-18-11-5-4-9(16)7-10(11)14-19-13(20-21(14)15)12-3-2-6-23-12/h2-7H,1H3,(H,17,18,22)
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| InChIKey |
XVUXPVPCALOADS-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01278, Adenosine receptor A2b
Protein ID: PT01279, Adenosine receptor A3